#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/96/1519601.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1519601
loop_
_publ_author_name
'Matthews, Craig J.'
'Horton, Peter N.'
'Hursthouse, Michael B.'
_publ_section_title
;
 C58H62Cl6N26O30Zn3
;
_journal_name_full               'Crystal Structure Report Archive'
_journal_page_first              1063
_journal_year                    2004
_chemical_formula_moiety         'C58 H50 N26 Zn3, 6(Cl O4), 6(H2 O)'
_chemical_formula_sum            'C58 H62 Cl6 N26 O30 Zn3'
_chemical_formula_weight         2012.15
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 118.687(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.507(5)
_cell_length_b                   18.121(4)
_cell_length_c                   21.007(4)
_cell_measurement_reflns_used    8423
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     7850(3)
_computing_cell_refinement
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_data_reduction
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_molecular_graphics    'ORTEP3 for Windows (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997b)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type
'Bruker-Nonius 95mm CCD camera on κ-goniostat'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  '10cm confocal mirrors'
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0631
_diffrn_reflns_av_sigmaI/netI    0.0742
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            32800
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.94
_exptl_absorpt_coefficient_mu    1.215
_exptl_absorpt_correction_T_max  0.9198
_exptl_absorpt_correction_T_min  0.7759
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2.10 (Sheldrick, G.M., 2003)'
_exptl_crystal_colour            'Light Green'
_exptl_crystal_density_diffrn    1.703
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Slab
_exptl_crystal_F_000             4096
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.220
_refine_diff_density_min         -0.948
_refine_diff_density_rms         0.129
_refine_ls_extinction_coef       0.0011(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     658
_refine_ls_number_reflns         8912
_refine_ls_number_restraints     1153
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.1705
_refine_ls_R_factor_gt           0.1245
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0736P)²+181.3200P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2745
_refine_ls_wR_factor_ref         0.2976
_reflns_number_gt                5898
_reflns_number_total             8912
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            eCrystal-1063.cif
_cod_data_source_block           04src0422
_cod_depositor_comments
;
Citation :
Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2004) 
University of Southampton, Crystal Structure Report Archive. 
(doi:10.5258/ecrystals/1063)

More at:
http://ecrystals.chem.soton.ac.uk/1063/
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1519601
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.0000 0.94100(8) 0.7500 0.0415(4) Uani 1 2 d SU . .
Zn2 Zn 0.0000 1.18494(7) 0.7500 0.0342(4) Uani 1 2 d SU . .
Zn3 Zn 0.0000 1.42992(8) 0.7500 0.0489(5) Uani 1 2 d SU . .
C1 C 0.0105(7) 0.8176(6) 0.8634(7) 0.066(2) Uani 1 1 d U . .
H1 H 0.0542 0.8337 0.8909 0.079 Uiso 1 1 calc R . .
C2 C -0.0105(7) 0.7588(7) 0.8888(8) 0.078(3) Uani 1 1 d U . .
H2 H 0.0175 0.7353 0.9335 0.094 Uiso 1 1 calc R . .
C3 C -0.0726(8) 0.7360(8) 0.8476(9) 0.088(3) Uani 1 1 d U . .
H3 H -0.0874 0.6948 0.8635 0.106 Uiso 1 1 calc R . .
C4 C -0.1142(7) 0.7693(6) 0.7850(8) 0.077(3) Uani 1 1 d U . .
H4 H -0.1576 0.7526 0.7572 0.093 Uiso 1 1 calc R . .
C5 C -0.0911(6) 0.8291(6) 0.7628(7) 0.062(2) Uani 1 1 d U . .
C6 C -0.1317(5) 0.8712(6) 0.6976(6) 0.0588(19) Uani 1 1 d U . .
C7 C -0.1997(6) 0.8601(8) 0.6473(7) 0.075(3) Uani 1 1 d U . .
H7 H -0.2222 0.8206 0.6551 0.090 Uiso 1 1 calc R . .
C8 C -0.2316(6) 0.9048(8) 0.5899(8) 0.081(3) Uani 1 1 d U . .
H8 H -0.2759 0.8955 0.5563 0.097 Uiso 1 1 calc R . .
C9 C -0.1997(5) 0.9650(8) 0.5797(7) 0.070(3) Uani 1 1 d U . .
H9 H -0.2218 0.9979 0.5401 0.084 Uiso 1 1 calc R . .
C10 C -0.1346(4) 0.9751(6) 0.6292(6) 0.0522(19) Uani 1 1 d U . .
C11 C -0.0955(4) 1.0382(6) 0.6272(5) 0.0455(18) Uani 1 1 d U . .
C12 C 0.0620(4) 1.0824(5) 0.6875(5) 0.0355(16) Uani 1 1 d U . .
C13 C 0.1124(4) 1.1383(5) 0.7284(5) 0.0406(17) Uani 1 1 d U . .
C14 C 0.1727(4) 1.1404(7) 0.7323(6) 0.058(2) Uani 1 1 d U . .
H14 H 0.1846 1.1058 0.7068 0.069 Uiso 1 1 calc R . .
C15 C 0.2150(5) 1.1950(7) 0.7747(7) 0.069(2) Uani 1 1 d U . .
H15 H 0.2561 1.1994 0.7767 0.082 Uiso 1 1 calc R . .
C16 C 0.1984(5) 1.2436(7) 0.8147(6) 0.062(2) Uani 1 1 d U . .
H16 H 0.2286 1.2787 0.8468 0.075 Uiso 1 1 calc R . .
C17 C 0.1367(4) 1.2389(5) 0.8060(5) 0.0433(17) Uani 1 1 d U . .
C18 C 0.1086(4) 1.2923(5) 0.8362(5) 0.0395(16) Uani 1 1 d U . .
C19 C -0.0257(5) 1.3346(5) 0.8521(5) 0.0468(18) Uani 1 1 d U . .
C20 C -0.0708(5) 1.3991(6) 0.8333(6) 0.0542(18) Uani 1 1 d U . .
C21 C -0.1110(6) 1.4119(7) 0.8627(7) 0.068(2) Uani 1 1 d U . .
H21 H -0.1098 1.3804 0.8995 0.082 Uiso 1 1 calc R . .
C22 C -0.1526(6) 1.4702(7) 0.8385(9) 0.084(3) Uani 1 1 d U . .
H22 H -0.1802 1.4802 0.8587 0.100 Uiso 1 1 calc R . .
C23 C -0.1542(6) 1.5148(7) 0.7841(8) 0.081(3) Uani 1 1 d U . .
H23 H -0.1837 1.5549 0.7661 0.098 Uiso 1 1 calc R . .
C24 C -0.1118(5) 1.5005(6) 0.7557(7) 0.064(2) Uani 1 1 d U . .
C25 C -0.1101(6) 1.5406(6) 0.6982(7) 0.070(2) Uani 1 1 d U . .
C26 C -0.1525(7) 1.5984(6) 0.6608(8) 0.089(3) Uani 1 1 d U . .
H26 H -0.1848 1.6132 0.6732 0.107 Uiso 1 1 calc R . .
C27 C -0.1472(8) 1.6339(7) 0.6058(8) 0.098(4) Uani 1 1 d U . .
H27 H -0.1752 1.6740 0.5810 0.118 Uiso 1 1 calc R . .
C28 C -0.1004(8) 1.6111(7) 0.5861(8) 0.096(3) Uani 1 1 d U . .
H28 H -0.0962 1.6356 0.5486 0.115 Uiso 1 1 calc R . .
C29 C -0.0596(7) 1.5502(6) 0.6239(7) 0.079(3) Uani 1 1 d U . .
H29 H -0.0294 1.5321 0.6099 0.095 Uiso 1 1 calc R . .
N1 N -0.0281(5) 0.8520(4) 0.8023(5) 0.0585(18) Uani 1 1 d U . .
N2 N -0.1020(4) 0.9298(5) 0.6857(5) 0.0500(16) Uani 1 1 d U . .
N3 N -0.1240(4) 1.0980(6) 0.5884(5) 0.067(2) Uani 1 1 d U . .
H3A H -0.1004 1.1361 0.5892 0.080 Uiso 1 1 calc R . .
H3B H -0.1665 1.0996 0.5618 0.080 Uiso 1 1 calc R . .
N4 N -0.0325(3) 1.0289(4) 0.6691(4) 0.0382(14) Uani 1 1 d U . .
N5 N 0.0050(3) 1.0941(4) 0.6830(4) 0.0343(14) Uani 1 1 d U . .
N6 N 0.0773(3) 1.0216(4) 0.6636(4) 0.0418(17) Uani 1 1 d U . .
H6A H 0.0484 0.9863 0.6433 0.050 Uiso 1 1 calc R . .
H6B H 0.1163 1.0167 0.6680 0.050 Uiso 1 1 calc R . .
N7 N 0.0949(3) 1.1868(4) 0.7641(4) 0.0385(14) Uani 1 1 d U . .
N8 N 0.1409(4) 1.3554(4) 0.8655(4) 0.0479(18) Uani 1 1 d U . .
H8A H 0.1229 1.3899 0.8794 0.058 Uiso 1 1 calc R . .
H8B H 0.1800 1.3620 0.8708 0.058 Uiso 1 1 calc R . .
N9 N 0.0491(3) 1.2776(4) 0.8262(4) 0.0377(14) Uani 1 1 d U . .
N10 N 0.0173(3) 1.3421(4) 0.8286(4) 0.0409(15) Uani 1 1 d U . .
N11 N -0.0315(4) 1.2779(5) 0.8884(4) 0.053(2) Uani 1 1 d U . .
H11A H -0.0051 1.2400 0.8992 0.064 Uiso 1 1 calc R . .
H11B H -0.0618 1.2781 0.9016 0.064 Uiso 1 1 calc R . .
N12 N -0.0715(4) 1.4425(4) 0.7828(5) 0.0530(17) Uani 1 1 d U . .
N13 N -0.0638(5) 1.5185(5) 0.6791(5) 0.068(2) Uani 1 1 d U . .
O31 O 0.1175(4) 0.1574(5) 0.5631(5) 0.111(3) Uani 1 1 d DU . .
O32 O 0.2234(3) 0.1978(4) 0.6254(4) 0.075(2) Uani 1 1 d DU . .
O33 O 0.1703(5) 0.1951(6) 0.4980(5) 0.124(4) Uani 1 1 d DU . .
O34 O 0.1414(5) 0.2793(4) 0.5613(5) 0.095(3) Uani 1 1 d DU . .
Cl31 Cl 0.16353(15) 0.20598(14) 0.56035(17) 0.0647(8) Uani 1 1 d DU . .
O41 O 0.2235(9) 0.9099(12) 0.5920(10) 0.095(4) Uani 0.418(9) 1 d PDU A 1
O42 O 0.2371(10) 0.8808(11) 0.7051(9) 0.127(7) Uani 0.418(9) 1 d PDU A 1
O43 O 0.2070(10) 1.0000(7) 0.6618(11) 0.072(5) Uani 0.418(9) 1 d PDU A 1
O44 O 0.1336(6) 0.9046(11) 0.6090(12) 0.098(5) Uani 0.418(9) 1 d PDU A 1
Cl41 Cl 0.2006(5) 0.9244(6) 0.6422(6) 0.091(3) Uani 0.418(9) 1 d PDU A 1
O46 O 0.2488(5) 0.9480(9) 0.6065(9) 0.094(4) Uani 0.582(9) 1 d PDU A 2
O47 O 0.1814(7) 0.8616(5) 0.6173(9) 0.113(5) Uani 0.582(9) 1 d PDU A 2
O48 O 0.2023(7) 0.9724(9) 0.6799(6) 0.084(4) Uani 0.582(9) 1 d PDU A 2
O49 O 0.1379(5) 0.9707(7) 0.5553(6) 0.084(4) Uani 0.582(9) 1 d PDU A 2
Cl46 Cl 0.1928(3) 0.9385(4) 0.6143(4) 0.073(2) Uani 0.582(9) 1 d PDU A 2
O51 O 0.1374(7) 0.5776(6) 0.4888(6) 0.063(4) Uani 0.535(6) 1 d PDU B 1
O52 O 0.2355(5) 0.6385(12) 0.5476(10) 0.124(5) Uani 0.535(6) 1 d PDU B 1
O53 O 0.1407(8) 0.7018(6) 0.5150(9) 0.101(6) Uani 0.535(6) 1 d PDU B 1
O54 O 0.1744(9) 0.6145(10) 0.6073(6) 0.088(4) Uani 0.535(6) 1 d PDU B 1
Cl51 Cl 0.1733(2) 0.6334(3) 0.5420(3) 0.0655(15) Uani 0.535(6) 1 d PDU B 1
O56 O 0.0568(6) 0.5968(11) 0.5205(11) 0.117(6) Uani 0.465(6) 1 d PDU B 2
O57 O 0.1518(8) 0.5618(6) 0.5156(8) 0.051(3) Uani 0.465(6) 1 d PDU B 2
O58 O 0.1162(9) 0.6831(7) 0.4958(9) 0.085(5) Uani 0.465(6) 1 d PDU B 2
O59 O 0.1579(9) 0.6327(11) 0.6094(5) 0.093(5) Uani 0.465(6) 1 d PDU B 2
Cl56 Cl 0.1198(3) 0.6165(4) 0.5343(4) 0.0756(19) Uani 0.465(6) 1 d PDU B 2
O101 O 0.0616(6) 0.8257(6) 0.4870(5) 0.115(4) Uani 1 1 d . . .
O102 O 0.0172(5) 0.0595(5) 0.4741(4) 0.092(3) Uani 1 1 d . . .
O103 O 0.0029(12) 0.5633(17) 0.5197(17) 0.165(9) Uani 0.535(6) 1 d PU B 1
O104 O 0.2576(12) 0.6958(16) 0.5153(13) 0.126(8) Uani 0.465(6) 1 d PU B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N2 Zn1 N2 169.0(5) . 2_556
N2 Zn1 N4 115.6(3) . 2_556
N2 Zn1 N4 73.0(3) 2_556 2_556
N2 Zn1 N4 73.0(3) . .
N2 Zn1 N4 115.6(3) 2_556 .
N4 Zn1 N4 86.2(4) 2_556 .
N2 Zn1 N1 97.4(3) . 2_556
N2 Zn1 N1 74.5(4) 2_556 2_556
N4 Zn1 N1 147.0(3) 2_556 2_556
N4 Zn1 N1 102.7(3) . 2_556
N2 Zn1 N1 74.5(4) . .
N2 Zn1 N1 97.4(3) 2_556 .
N4 Zn1 N1 102.7(3) 2_556 .
N4 Zn1 N1 147.0(3) . .
N1 Zn1 N1 87.0(4) 2_556 .
N7 Zn2 N7 178.2(4) . 2_556
N7 Zn2 N5 74.0(3) . .
N7 Zn2 N5 107.5(3) 2_556 .
N7 Zn2 N5 107.5(3) . 2_556
N7 Zn2 N5 74.0(3) 2_556 2_556
N5 Zn2 N5 83.4(4) . 2_556
N7 Zn2 N9 74.8(3) . .
N7 Zn2 N9 103.8(3) 2_556 .
N5 Zn2 N9 148.7(2) . .
N5 Zn2 N9 105.8(3) 2_556 .
N7 Zn2 N9 103.8(3) . 2_556
N7 Zn2 N9 74.8(3) 2_556 2_556
N5 Zn2 N9 105.8(3) . 2_556
N5 Zn2 N9 148.7(2) 2_556 2_556
N9 Zn2 N9 81.9(4) . 2_556
N12 Zn3 N12 167.6(5) 2_556 .
N12 Zn3 N10 73.8(3) 2_556 2_556
N12 Zn3 N10 115.8(3) . 2_556
N12 Zn3 N10 115.8(3) 2_556 .
N12 Zn3 N10 73.8(3) . .
N10 Zn3 N10 86.6(4) 2_556 .
N12 Zn3 N13 75.7(4) 2_556 2_556
N12 Zn3 N13 95.2(4) . 2_556
N10 Zn3 N13 148.9(4) 2_556 2_556
N10 Zn3 N13 101.5(3) . 2_556
N12 Zn3 N13 95.2(4) 2_556 .
N12 Zn3 N13 75.7(4) . .
N10 Zn3 N13 101.5(3) 2_556 .
N10 Zn3 N13 148.9(4) . .
N13 Zn3 N13 87.0(5) 2_556 .
N1 C1 C2 122.1(13) . .
N1 C1 H1 118.9 . .
C2 C1 H1 118.9 . .
C3 C2 C1 117.5(14) . .
C3 C2 H2 121.2 . .
C1 C2 H2 121.2 . .
C4 C3 C2 122.8(13) . .
C4 C3 H3 118.6 . .
C2 C3 H3 118.6 . .
C3 C4 C5 117.3(14) . .
C3 C4 H4 121.3 . .
C5 C4 H4 121.3 . .
N1 C5 C4 121.1(13) . .
N1 C5 C6 116.1(9) . .
C4 C5 C6 122.8(12) . .
N2 C6 C7 117.4(11) . .
N2 C6 C5 115.0(9) . .
C7 C6 C5 127.5(10) . .
C8 C7 C6 121.1(11) . .
C8 C7 H7 119.5 . .
C6 C7 H7 119.5 . .
C7 C8 C9 119.9(11) . .
C7 C8 H8 120.0 . .
C9 C8 H8 120.0 . .
C10 C9 C8 117.9(13) . .
C10 C9 H9 121.1 . .
C8 C9 H9 121.1 . .
N2 C10 C9 122.6(10) . .
N2 C10 C11 113.6(8) . .
C9 C10 C11 123.8(11) . .
N4 C11 N3 126.0(9) . .
N4 C11 C10 113.2(9) . .
N3 C11 C10 120.7(8) . .
N5 C12 N6 123.9(8) . .
N5 C12 C13 115.7(7) . .
N6 C12 C13 120.1(7) . .
N7 C13 C14 121.9(8) . .
N7 C13 C12 113.6(7) . .
C14 C13 C12 124.5(8) . .
C13 C14 C15 117.4(10) . .
C13 C14 H14 121.3 . .
C15 C14 H14 121.3 . .
C14 C15 C16 121.1(9) . .
C14 C15 H15 119.5 . .
C16 C15 H15 119.5 . .
C17 C16 C15 117.5(9) . .
C17 C16 H16 121.2 . .
C15 C16 H16 121.2 . .
N7 C17 C16 121.6(9) . .
N7 C17 C18 113.9(7) . .
C16 C17 C18 124.3(9) . .
N9 C18 N8 124.0(9) . .
N9 C18 C17 116.8(7) . .
N8 C18 C17 118.9(8) . .
N11 C19 N10 126.9(9) . .
N11 C19 C20 120.1(9) . .
N10 C19 C20 113.1(9) . .
N12 C20 C21 121.1(10) . .
N12 C20 C19 114.3(9) . .
C21 C20 C19 124.5(11) . .
C22 C21 C20 119.2(13) . .
C22 C21 H21 120.4 . .
C20 C21 H21 120.4 . .
C21 C22 C23 119.5(13) . .
C21 C22 H22 120.3 . .
C23 C22 H22 120.3 . .
C22 C23 C24 119.8(12) . .
C22 C23 H23 120.1 . .
C24 C23 H23 120.1 . .
N12 C24 C23 117.4(12) . .
N12 C24 C25 117.2(11) . .
C23 C24 C25 125.3(11) . .
N13 C25 C26 120.0(14) . .
N13 C25 C24 116.3(10) . .
C26 C25 C24 123.7(14) . .
C27 C26 C25 119.5(15) . .
C27 C26 H26 120.2 . .
C25 C26 H26 120.2 . .
C26 C27 C28 120.4(13) . .
C26 C27 H27 119.8 . .
C28 C27 H27 119.8 . .
C27 C28 C29 118.2(15) . .
C27 C28 H28 120.9 . .
C29 C28 H28 120.9 . .
N13 C29 C28 120.3(15) . .
N13 C29 H29 119.8 . .
C28 C29 H29 119.8 . .
C1 N1 C5 119.0(10) . .
C1 N1 Zn1 126.5(8) . .
C5 N1 Zn1 114.4(8) . .
C10 N2 C6 121.1(9) . .
C10 N2 Zn1 119.7(6) . .
C6 N2 Zn1 118.7(8) . .
C11 N3 H3A 120.0 . .
C11 N3 H3B 120.0 . .
H3A N3 H3B 120.0 . .
C11 N4 N5 114.7(7) . .
C11 N4 Zn1 118.3(6) . .
N5 N4 Zn1 119.8(5) . .
C12 N5 N4 113.0(7) . .
C12 N5 Zn2 116.1(5) . .
N4 N5 Zn2 122.4(5) . .
C12 N6 H6A 120.0 . .
C12 N6 H6B 120.0 . .
H6A N6 H6B 120.0 . .
C13 N7 C17 120.3(7) . .
C13 N7 Zn2 119.9(5) . .
C17 N7 Zn2 119.7(6) . .
C18 N8 H8A 120.0 . .
C18 N8 H8B 120.0 . .
H8A N8 H8B 120.0 . .
C18 N9 N10 111.3(7) . .
C18 N9 Zn2 114.1(6) . .
N10 N9 Zn2 123.6(5) . .
C19 N10 N9 116.3(7) . .
C19 N10 Zn3 117.1(6) . .
N9 N10 Zn3 119.3(5) . .
C19 N11 H11A 120.0 . .
C19 N11 H11B 120.0 . .
H11A N11 H11B 120.0 . .
C20 N12 C24 123.0(10) . .
C20 N12 Zn3 119.7(7) . .
C24 N12 Zn3 117.0(8) . .
C29 N13 C25 121.4(11) . .
C29 N13 Zn3 125.8(9) . .
C25 N13 Zn3 112.8(8) . .
O33 Cl31 O31 112.3(6) . .
O33 Cl31 O32 112.2(6) . .
O31 Cl31 O32 108.6(5) . .
O33 Cl31 O34 110.3(6) . .
O31 Cl31 O34 106.7(6) . .
O32 Cl31 O34 106.4(5) . .
O43 Cl41 O42 109.6(9) . .
O43 Cl41 O41 111.7(10) . .
O42 Cl41 O41 108.3(9) . .
O43 Cl41 O44 108.8(9) . .
O42 Cl41 O44 110.3(10) . .
O41 Cl41 O44 108.2(9) . .
O46 Cl46 O49 110.9(8) . .
O46 Cl46 O48 109.8(8) . .
O49 Cl46 O48 108.9(7) . .
O46 Cl46 O47 109.2(8) . .
O49 Cl46 O47 109.2(8) . .
O48 Cl46 O47 108.9(9) . .
O54 Cl51 O52 113.7(9) . .
O54 Cl51 O53 111.0(8) . .
O52 Cl51 O53 108.3(9) . .
O54 Cl51 O51 108.4(8) . .
O52 Cl51 O51 107.8(8) . .
O53 Cl51 O51 107.4(8) . .
O57 Cl56 O56 114.3(9) . .
O57 Cl56 O59 108.6(9) . .
O56 Cl56 O59 108.6(9) . .
O57 Cl56 O58 109.3(8) . .
O56 Cl56 O58 109.0(9) . .
O59 Cl56 O58 106.7(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N2 2.122(8) .
Zn1 N2 2.122(8) 2_556
Zn1 N4 2.183(7) 2_556
Zn1 N4 2.183(7) .
Zn1 N1 2.222(8) 2_556
Zn1 N1 2.222(8) .
Zn2 N7 2.105(6) .
Zn2 N7 2.105(6) 2_556
Zn2 N5 2.205(7) .
Zn2 N5 2.205(7) 2_556
Zn2 N9 2.222(7) .
Zn2 N9 2.222(7) 2_556
Zn3 N12 2.114(9) 2_556
Zn3 N12 2.114(9) .
Zn3 N10 2.185(8) 2_556
Zn3 N10 2.185(8) .
Zn3 N13 2.214(9) 2_556
Zn3 N13 2.214(9) .
C1 N1 1.321(15) .
C1 C2 1.385(15) .
C1 H1 0.9500 .
C2 C3 1.355(19) .
C2 H2 0.9500 .
C3 C4 1.347(19) .
C3 H3 0.9500 .
C4 C5 1.389(15) .
C4 H4 0.9500 .
C5 N1 1.369(15) .
C5 C6 1.454(17) .
C6 N2 1.357(12) .
C6 C7 1.447(16) .
C7 C8 1.343(19) .
C7 H7 0.9500 .
C8 C9 1.399(17) .
C8 H8 0.9500 .
C9 C10 1.389(14) .
C9 H9 0.9500 .
C10 N2 1.340(14) .
C10 C11 1.480(13) .
C11 N4 1.321(11) .
C11 N3 1.327(13) .
C12 N5 1.315(10) .
C12 N6 1.330(11) .
C12 C13 1.479(12) .
C13 N7 1.341(11) .
C13 C14 1.381(11) .
C14 C15 1.382(15) .
C14 H14 0.9500 .
C15 C16 1.397(16) .
C15 H15 0.9500 .
C16 C17 1.374(12) .
C16 H16 0.9500 .
C17 N7 1.343(11) .
C17 C18 1.476(13) .
C18 N9 1.337(10) .
C18 N8 1.346(11) .
C19 N11 1.326(12) .
C19 N10 1.328(12) .
C19 C20 1.498(14) .
C20 N12 1.314(14) .
C20 C21 1.373(15) .
C21 C22 1.362(17) .
C21 H21 0.9500 .
C22 C23 1.384(19) .
C22 H22 0.9500 .
C23 C24 1.410(17) .
C23 H23 0.9500 .
C24 N12 1.345(13) .
C24 C25 1.426(18) .
C25 N13 1.386(16) .
C25 C26 1.399(16) .
C26 C27 1.38(2) .
C26 H26 0.9500 .
C27 C28 1.41(2) .
C27 H27 0.9500 .
C28 C29 1.427(17) .
C28 H28 0.9500 .
C29 N13 1.339(16) .
C29 H29 0.9500 .
N3 H3A 0.8800 .
N3 H3B 0.8800 .
N4 N5 1.418(9) .
N6 H6A 0.8800 .
N6 H6B 0.8800 .
N8 H8A 0.8800 .
N8 H8B 0.8800 .
N9 N10 1.403(10) .
N11 H11A 0.8800 .
N11 H11B 0.8800 .
O31 Cl31 1.416(6) .
O32 Cl31 1.423(6) .
O33 Cl31 1.406(6) .
O34 Cl31 1.430(6) .
O41 Cl41 1.420(7) .
O42 Cl41 1.419(8) .
O43 Cl41 1.418(7) .
O44 Cl41 1.429(7) .
O46 Cl46 1.414(7) .
O47 Cl46 1.425(7) .
O48 Cl46 1.425(7) .
O49 Cl46 1.416(7) .
O51 Cl51 1.442(7) .
O52 Cl51 1.415(7) .
O53 Cl51 1.422(7) .
O54 Cl51 1.402(7) .
O56 Cl56 1.413(7) .
O57 Cl56 1.409(7) .
O58 Cl56 1.432(7) .
O59 Cl56 1.422(7) .
